methyl 4-[[methyl-[(4-methyl-1-oxidanylidene-phthalazin-2-yl)methyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[(4-methyl-1-oxidanylidene-phthalazin-2-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[(4-methyl-1-oxo-phthalazin-2-yl)methyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[(4-methyl-1-oxo-2-phthalazinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(4-methyl-1-oxophthalazin-2-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(1-keto-4-methyl-phthalazin-2-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CN(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CN(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3/c1-14-17-6-4-5-7-18(17)19(24)23(21-14)13-22(2)12-15-8-10-16(11-9-15)20(25)26-3/h4-11H,12-13H2,1-3H3